formic acid;bis(iridium);bis(2-phenylpyridine)

C24H20Ir2N2O4-2 — CID 58163235

IUPACformic acid;bis(iridium);bis(2-phenylpyridine)
SMILESO=CO.O=CO.[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C11H8N.2CH2O2.2Ir/c2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*2-1-3;;/h2*1-6,8-9H;2*1H,(H,2,3);;/q2*-1;;;;
InChIKeyLTVCOBCUUIXRNU-UHFFFAOYSA-N
MW784.87 g/mol
LogP4.49
Rot. Bonds2

About formic acid;bis(iridium);bis(2-phenylpyridine)

formic acid;bis(iridium);bis(2-phenylpyridine) (PubChem CID 58163235) has the molecular formula C24H20Ir2N2O4-2 and a molecular weight of 784.87 g/mol. Its IUPAC name is formic acid;bis(iridium);bis(2-phenylpyridine).

Molecular Properties

Compound Nameformic acid;bis(iridium);bis(2-phenylpyridine)
PubChem CID58163235
Molecular FormulaC24H20Ir2N2O4-2
Molecular Weight784.87 g/mol
Exact Mass786.07
IUPAC Nameformic acid;bis(iridium);bis(2-phenylpyridine)
SMILESO=CO.O=CO.[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C11H8N.2CH2O2.2Ir/c2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*2-1-3;;/h2*1-6,8-9H;2*1H,(H,2,3);;/q2*-1;;;;
InChIKeyLTVCOBCUUIXRNU-UHFFFAOYSA-N
XLogP4.49
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500784.87
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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2-phenylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate
CID 10963599
4-ethyl-2-(4-ethyl-2-pyridinyl)pyridine;iridium;bis(2-phenylpyridine)
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Frequently Asked Questions

What is the IUPAC name of formic acid;bis(iridium);bis(2-phenylpyridine)?
The IUPAC name of formic acid;bis(iridium);bis(2-phenylpyridine) (CID 58163235) is formic acid;bis(iridium);bis(2-phenylpyridine).
What is the SMILES notation for formic acid;bis(iridium);bis(2-phenylpyridine)?
The canonical SMILES for formic acid;bis(iridium);bis(2-phenylpyridine) is O=CO.O=CO.[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of formic acid;bis(iridium);bis(2-phenylpyridine)?
The InChIKey is LTVCOBCUUIXRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H8N.2CH2O2.2Ir/c2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*2-1-3;;/h2*1-6,8-9H;2*1H,(H,2,3);;/q2*-1;;;;.
What are the key properties of formic acid;bis(iridium);bis(2-phenylpyridine)?
formic acid;bis(iridium);bis(2-phenylpyridine) has a molecular weight of 784.87 g/mol, XLogP of 4.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;bis(iridium);bis(2-phenylpyridine) is sourced from PubChem (CID 58163235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).